3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole

C23H16FN7O — CID 59604051

IUPAC3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccc4c(c3)NCC4)no2)c1-c1ccncc1
InChIInChI=1S/C23H16FN7O/c24-17-3-1-2-4-19(17)31-21(15-7-10-25-11-8-15)20(28-30-31)23-27-22(29-32-23)16-6-5-14-9-12-26-18(14)13-16/h1-8,10-11,13,26H,9,12H2
InChIKeyWWDLCUQFTHMBKT-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.15
Rot. Bonds4

About 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole

3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 59604051) has the molecular formula C23H16FN7O and a molecular weight of 425.43 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
PubChem CID59604051
Molecular FormulaC23H16FN7O
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC Name3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccc4c(c3)NCC4)no2)c1-c1ccncc1
InChIInChI=1S/C23H16FN7O/c24-17-3-1-2-4-19(17)31-21(15-7-10-25-11-8-15)20(28-30-31)23-27-22(29-32-23)16-6-5-14-9-12-26-18(14)13-16/h1-8,10-11,13,26H,9,12H2
InChIKeyWWDLCUQFTHMBKT-UHFFFAOYSA-N
XLogP4.15
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (CID 59604051) is 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(-c3ccc4c(c3)NCC4)no2)c1-c1ccncc1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is WWDLCUQFTHMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7O/c24-17-3-1-2-4-19(17)31-21(15-7-10-25-11-8-15)20(28-30-31)23-27-22(29-32-23)16-6-5-14-9-12-26-18(14)13-16/h1-8,10-11,13,26H,9,12H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 425.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-6-yl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59604051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).